Cas no 88466-67-5 (5-(4-Chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione)

5-(4-Chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione structure
88466-67-5 structure
Product Name:5-(4-Chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS No:88466-67-5
MF:C13H13ClO4
MW:268.692923307419
CID:631663
PubChem ID:10880110
Update Time:2025-04-19

5-(4-Chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxane-4,6-dione, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-
    • 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1,3-Dioxane-4,6-dione
    • 5-(4-Chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
    • SCHEMBL15647719
    • LS-10027
    • FT-0710597
    • MFCD09835689
    • DBPJFECUSKQONM-UHFFFAOYSA-N
    • 88466-67-5
    • DTXSID00446944
    • AKOS025141885
    • Inchi: 1S/C13H13ClO4/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3
    • InChI Key: DBPJFECUSKQONM-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)CC1C(=O)OC(C)(C)OC1=O

Computed Properties

  • Exact Mass: 268.0502366g/mol
  • Monoisotopic Mass: 268.0502366g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 325
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 52.6?2

5-(4-Chlorobenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione Pricemore >>

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